1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride

C15H20ClFN4 — CID 120837476

IUPAC1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1
InChIInChI=1S/C15H19FN4.ClH/c16-14-3-1-12(2-4-14)9-20-10-13(7-18-20)8-19-6-5-15(17)11-19;/h1-4,7,10,15H,5-6,8-9,11,17H2;1H
InChIKeyYGCGHTJEHZEKCB-UHFFFAOYSA-N
MW310.80 g/mol
LogP2.03
Rot. Bonds4

About 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride

1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120837476) has the molecular formula C15H20ClFN4 and a molecular weight of 310.80 g/mol. Its IUPAC name is 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120837476
Molecular FormulaC15H20ClFN4
Molecular Weight310.80 g/mol
Exact Mass310.14
IUPAC Name1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1
InChIInChI=1S/C15H19FN4.ClH/c16-14-3-1-12(2-4-14)9-20-10-13(7-18-20)8-19-6-5-15(17)11-19;/h1-4,7,10,15H,5-6,8-9,11,17H2;1H
InChIKeyYGCGHTJEHZEKCB-UHFFFAOYSA-N
XLogP2.03
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine
CID 120834479
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843387
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 99829138
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
(2R,6S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-2,6-dimethylpiperazine;hydrochloride
CID 120844728
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
(2R,6S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-2,6-dimethylpiperazine
CID 120844729
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride (CID 120837476) is 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1.
What is the InChIKey of 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is YGCGHTJEHZEKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4.ClH/c16-14-3-1-12(2-4-14)9-20-10-13(7-18-20)8-19-6-5-15(17)11-19;/h1-4,7,10,15H,5-6,8-9,11,17H2;1H.
What are the key properties of 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride?
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 310.80 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120837476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).